Information card for entry 4317965

Structure parameters

• Formula: C6 H12 O2 Re2 S6
• Calculated formula: C6 H12 O2 Re2 S6
• SMILES: [Re]12(SCCS1)([S]1[Re]3(SCC1)(SCC[S]23)=O)=O
• Title of publication: Synthesis and Characterization of Dimetallic Oxorhenium(V) and Dioxorhenium(VII) Compounds, and a Study of Stoichiometric and Catalytic Reactions
• Authors of publication: James H. Espenson; Xiaopeng Shan; Ying Wang; Ruili Huang; David W. Lahti; JaNeille Dixon; Gábor Lente; Arkady Ellern; Ilia A. Guzei
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2583 - 2591
• a: 8.9073 ± 0.0017 Å
• b: 15.065 ± 0.003 Å
• c: 11.347 ± 0.002 Å
• α: 90°
• β: 107.996 ± 0.004°
• γ: 90°
• Cell volume: 1448.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No